#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9b n ALA 15 N 0.00 2.85 0.26 -1.67 0.00 -1.14 -4.98 120.51 115.83 2c9b n ALA 15 Ca 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 53.44 51.90 2c9b n ALA 15 Cb 0.00 -0.78 0.70 0.00 0.00 0.00 0.00 19.45 19.37 2c9b n ALA 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2c9b h SER 16 N 1.43 0.00 -0.65 0.00 0.87 -1.89 -3.19 113.55 110.12 2c9b h SER 16 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2c9b h SER 16 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2c9b h SER 16 CO -0.05 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.98 2c9b n GLY 17 N -0.46 2.17 3.88 5.77 0.00 -1.26 -4.85 105.19 110.43 2c9b n GLY 17 Ca -0.01 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2c9b n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c9b s VAL 18 N -1.14 5.35 -0.26 1.61 -7.23 -1.21 -5.07 120.40 112.46 2c9b s VAL 18 Ca 0.45 0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.68 2c9b s VAL 18 Cb 0.24 -3.52 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 2c9b s VAL 18 CO 0.32 0.49 0.59 -0.13 -0.31 0.00 0.00 175.10 176.05 2c9b s ARG 19 N -1.40 4.09 -0.02 4.82 0.52 -1.26 -4.99 118.95 120.70 2c9b s ARG 19 Ca 0.22 0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.95 2c9b s ARG 19 Cb -0.13 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.67 2c9b s ARG 19 CO 0.11 -0.40 -0.20 -1.17 0.02 0.00 0.00 175.30 173.67 2c9b s LEU 20 N 2.44 2.02 -0.01 2.53 2.96 -1.26 -0.37 118.68 126.99 2c9b s LEU 20 Ca 0.24 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2c9b s LEU 20 Cb -0.16 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 2c9b s LEU 20 CO 0.09 0.23 -0.16 0.00 -1.32 0.00 0.00 176.35 175.19 2c9b s ALA 21 N -0.37 1.33 -0.13 5.97 0.00 0.19 -2.28 121.76 126.47 2c9b s ALA 21 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2c9b s ALA 21 Cb -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2c9b s ALA 21 CO -0.00 0.32 -0.17 0.42 0.00 0.00 0.00 175.76 176.33 2c9b s ILE 22 N -0.35 2.65 -0.14 0.00 1.09 0.98 -0.42 121.20 125.02 2c9b s ILE 22 Ca 0.06 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 58.82 2c9b s ILE 22 Cb -0.06 -2.09 0.01 0.00 -1.06 0.00 0.00 42.46 39.26 2c9b s ILE 22 CO -0.00 0.53 -0.19 0.54 -0.10 0.00 0.00 174.94 175.72 2c9b s VAL 23 N 0.48 1.83 -0.01 2.92 0.11 0.20 -1.08 120.40 124.85 2c9b s VAL 23 Ca -0.12 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 2c9b s VAL 23 Cb -0.16 -1.65 -0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2c9b s VAL 23 CO 0.05 0.50 -0.08 0.00 -3.33 0.00 0.00 175.10 172.24 2c9b s ALA 24 N 1.03 0.71 0.85 1.54 0.00 -0.64 -0.76 121.76 124.48 2c9b s ALA 24 Ca -0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 2c9b s ALA 24 Cb -0.15 -0.21 0.15 0.00 0.00 0.00 0.00 23.12 22.92 2c9b s ALA 24 CO -0.05 0.16 1.18 -1.54 0.00 0.00 0.00 175.76 175.51 2c9b s SER 25 N -0.09 3.82 0.00 0.00 1.04 -0.72 -1.93 113.70 115.82 2c9b s SER 25 Ca 0.02 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2c9b s SER 25 Cb -0.05 -0.47 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 2c9b s SER 25 CO -0.00 -2.26 0.12 -1.20 0.98 0.00 0.00 173.24 170.87 2c9b n SER 26 N -3.37 0.18 -4.68 7.02 7.64 -0.44 -4.81 113.62 115.16 2c9b n SER 26 Ca 0.13 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 2c9b n SER 26 Cb 0.60 0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 64.69 2c9b n SER 26 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2c9b s TRP 27 N -1.10 1.96 -0.24 1.43 -0.11 -1.12 -3.33 118.94 116.43 2c9b s TRP 27 Ca 0.01 -0.07 -0.04 0.00 1.22 0.00 0.00 56.10 57.22 2c9b s TRP 27 Cb 0.01 -4.15 0.01 0.00 -1.50 0.00 0.00 33.47 27.85 2c9b s TRP 27 CO 0.08 -4.83 0.07 0.72 -4.62 0.00 0.00 176.95 168.37 2c9b n HIS 28 N 6.22 -3.74 0.37 5.86 8.25 -1.26 -4.58 115.22 126.34 2c9b n HIS 28 Ca 0.18 1.84 -0.18 0.00 -0.26 0.00 0.00 57.72 59.30 2c9b n HIS 28 Cb 0.39 -3.73 -0.09 0.00 1.12 0.00 0.00 29.99 27.68 2c9b n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c9b h GLY 29 N 3.03 -1.07 0.37 -1.41 0.00 -1.95 -3.05 103.07 98.99 2c9b h GLY 29 Ca -0.17 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.66 2c9b h GLY 29 CO 0.06 -0.38 -0.05 1.70 0.00 0.00 0.00 176.54 177.87 2c9b h LYS 30 N -0.99 0.04 -0.55 4.80 3.64 -1.93 -0.29 116.57 121.28 2c9b h LYS 30 Ca -0.09 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2c9b h LYS 30 Cb 0.79 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2c9b h LYS 30 CO 0.10 0.02 0.04 0.82 -2.27 0.00 0.00 179.45 178.16 2c9b h ILE 31 N 0.04 1.26 -0.80 2.00 2.04 -1.93 -1.57 117.51 118.55 2c9b h ILE 31 Ca 0.17 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2c9b h ILE 31 Cb 0.25 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2c9b h ILE 31 CO -0.32 0.38 0.35 0.00 0.00 0.00 0.00 178.15 178.55 2c9b h ASP 33 N 1.15 0.00 0.40 0.00 3.32 -0.73 -1.89 116.42 118.67 2c9b h ASP 33 Ca 0.27 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.00 2c9b h ASP 33 Cb 0.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.74 2c9b h ASP 33 CO -0.03 0.18 -1.43 0.00 -1.72 0.00 0.00 179.24 176.24 2c9b h ALA 34 N 1.82 -0.02 -0.58 3.45 0.00 -0.66 -2.95 119.26 120.31 2c9b h ALA 34 Ca -0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 2c9b h ALA 34 Cb 0.58 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2c9b h ALA 34 CO 0.02 0.85 -0.06 -0.07 0.00 0.00 0.00 179.25 180.00 2c9b h LEU 35 N 0.11 1.06 -0.89 0.00 3.38 -0.98 -2.61 115.31 115.38 2c9b h LEU 35 Ca -0.22 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 2c9b h LEU 35 Cb 2.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2c9b h LEU 35 CO 0.24 1.13 -0.24 0.25 0.09 0.00 0.00 178.44 179.91 2c9b h LEU 36 N 0.96 0.54 -0.25 1.67 5.85 -1.47 -2.65 115.31 119.97 2c9b h LEU 36 Ca 0.16 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2c9b h LEU 36 Cb 0.63 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2c9b h LEU 36 CO 0.04 0.78 0.10 -0.78 -0.34 0.00 0.00 178.44 178.24 2c9b h ASP 37 N 0.48 0.35 0.04 1.25 -0.00 -1.33 -1.69 116.42 115.51 2c9b h ASP 37 Ca 0.07 -0.17 -0.12 0.00 -0.00 0.00 0.00 57.03 56.81 2c9b h ASP 37 Cb 0.68 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.91 2c9b h ASP 37 CO 0.05 0.42 -0.39 1.23 -0.00 0.00 0.00 179.24 180.55 2c9b h GLY 38 N 0.25 0.49 0.98 -0.78 0.00 -1.47 -2.51 103.07 100.03 2c9b h GLY 38 Ca 0.08 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2c9b h GLY 38 CO -0.01 0.43 0.00 0.00 0.00 0.00 0.00 176.54 176.96 2c9b h ALA 39 N 1.21 0.60 -0.39 3.60 0.00 -1.39 -2.91 119.26 119.97 2c9b h ALA 39 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2c9b h ALA 39 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2c9b h ALA 39 CO 0.07 0.39 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 2c9b h ARG 40 N 0.63 0.64 -0.28 0.00 3.08 -1.21 -2.48 114.38 114.76 2c9b h ARG 40 Ca 0.13 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2c9b h ARG 40 Cb 0.49 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2c9b h ARG 40 CO 0.02 0.67 -0.36 0.87 -1.07 0.00 0.00 179.97 180.10 2c9b h LYS 41 N 0.60 0.62 -0.31 0.04 1.57 -1.37 -2.19 116.57 115.54 2c9b h LYS 41 Ca 0.12 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 2c9b h LYS 41 Cb 0.40 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2c9b h LYS 41 CO 0.02 0.89 -0.30 0.28 -0.57 0.00 0.00 179.45 179.77 2c9b h VAL 42 N 0.52 1.30 -0.48 0.50 2.07 -1.42 -2.58 116.25 116.16 2c9b h VAL 42 Ca 0.05 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.14 2c9b h VAL 42 Cb 0.86 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2c9b h VAL 42 CO 0.07 0.47 0.26 0.00 0.02 0.00 0.00 177.57 178.39 2c9b h ALA 43 N 0.72 0.61 -0.63 1.67 0.00 -1.34 -1.65 119.26 118.64 2c9b h ALA 43 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2c9b h ALA 43 Cb 0.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2c9b h ALA 43 CO 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.29 2c9b h ALA 44 N 1.24 0.88 0.00 0.00 0.00 -1.13 -0.05 119.26 120.19 2c9b h ALA 44 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2c9b h ALA 44 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2c9b h ALA 44 CO -0.13 0.67 0.00 0.78 0.00 0.00 0.00 179.25 180.57 2c9b h GLY 45 N 1.01 0.00 -2.01 0.00 0.00 -1.20 -2.77 103.07 98.10 2c9b h GLY 45 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2c9b h GLY 45 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2c9b n GLY 47 N 1.43 0.32 3.43 0.00 0.00 -1.05 -2.90 105.19 106.42 2c9b n GLY 47 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 2c9b n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9b s LEU 48 N 0.00 5.18 -0.12 0.99 1.43 -0.07 -4.85 118.68 121.24 2c9b s LEU 48 Ca 0.00 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 51.80 2c9b s LEU 48 Cb 0.00 -2.36 -0.23 0.00 0.03 0.00 0.00 46.19 43.63 2c9b s LEU 48 CO 0.00 -0.80 0.78 0.44 0.23 0.00 0.00 176.35 177.00 2c9b h ASP 49 N 8.91 -0.01 -3.78 2.29 3.45 -1.87 -2.83 116.42 122.58 2c9b h ASP 49 Ca -0.28 -0.85 -0.63 0.00 0.43 0.00 0.00 57.03 55.71 2c9b h ASP 49 Cb 1.10 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.47 2c9b h ASP 49 CO 0.93 0.88 -0.70 -1.81 -1.57 0.00 0.00 179.24 176.97 2c9b s ASP 50 N -6.08 4.21 0.77 6.45 -0.00 -1.26 -4.85 116.67 115.91 2c9b s ASP 50 Ca -0.17 -2.49 -0.12 0.00 -0.00 0.00 0.00 52.55 49.78 2c9b s ASP 50 Cb -0.02 -1.36 0.06 0.00 -0.00 0.00 0.00 42.92 41.60 2c9b s ASP 50 CO 0.63 -0.31 1.15 -2.84 -0.00 0.00 0.00 175.17 173.80 2c9b s PRO 51 N 0.47 2.22 -0.45 8.23 0.02 -1.26 -5.02 135.00 139.21 2c9b s PRO 51 Ca 0.15 0.18 -0.28 0.00 0.02 0.00 0.00 61.00 61.07 2c9b s PRO 51 Cb -0.23 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.34 2c9b s PRO 51 CO -0.06 -1.42 1.06 0.99 -0.33 0.00 0.00 177.00 177.24 2c9b s THR 52 N -3.50 4.33 -0.18 0.99 2.01 -0.97 -4.94 115.64 113.38 2c9b s THR 52 Ca 0.61 1.14 -0.04 0.00 0.31 0.00 0.00 61.69 63.71 2c9b s THR 52 Cb -0.11 -4.53 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 2c9b s THR 52 CO 0.49 -0.88 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.82 2c9b s VAL 53 N 4.13 3.81 -0.04 3.82 1.01 -1.26 -0.01 120.40 131.87 2c9b s VAL 53 Ca 0.44 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2c9b s VAL 53 Cb -0.09 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 2c9b s VAL 53 CO 0.28 0.46 -0.15 -0.69 0.00 0.00 0.00 175.10 174.99 2c9b s VAL 54 N 0.78 1.28 -0.05 2.92 1.01 -0.24 -5.00 120.40 121.10 2c9b s VAL 54 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2c9b s VAL 54 Cb -0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2c9b s VAL 54 CO 0.02 0.37 0.10 -0.13 0.00 0.00 0.00 175.10 175.46 2c9b s ARG 55 N 0.10 3.21 0.29 2.72 1.81 -1.26 -1.63 118.95 124.18 2c9b s ARG 55 Ca -0.04 -0.35 0.02 0.00 -1.72 0.00 0.00 55.73 53.64 2c9b s ARG 55 Cb -0.11 -2.97 -0.05 0.00 -0.45 0.00 0.00 34.95 31.37 2c9b s ARG 55 CO 0.02 0.70 0.10 0.14 -0.68 0.00 0.00 175.30 175.57 2c9b s VAL 56 N -1.11 0.69 0.00 3.52 -7.23 -0.81 -4.96 120.40 110.49 2c9b s VAL 56 Ca 0.20 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2c9b s VAL 56 Cb -0.12 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2c9b s VAL 56 CO 0.10 0.00 0.33 -0.11 -0.31 0.00 0.00 175.10 175.11 2c9b n LEU 57 N -0.55 0.37 -4.84 1.32 -0.00 -1.26 -1.79 117.00 110.25 2c9b n LEU 57 Ca -0.01 0.59 -0.28 0.00 -0.00 0.00 0.00 56.01 56.31 2c9b n LEU 57 Cb 0.66 -0.40 -0.04 0.00 -0.00 0.00 0.00 43.42 43.64 2c9b n LEU 57 CO 0.38 -0.40 -0.07 -0.83 -0.00 0.00 0.00 177.39 176.47 2c9b s GLY 58 N -1.43 2.57 0.41 -3.96 0.00 -1.26 -1.33 107.32 102.31 2c9b s GLY 58 Ca 0.00 -1.11 0.21 0.00 0.00 0.00 0.00 44.72 43.82 2c9b s GLY 58 CO 0.00 -2.01 1.77 0.00 0.00 0.00 0.00 173.10 172.86 2c9b h ALA 59 N 1.03 1.00 0.00 3.20 0.00 -1.94 -3.08 119.26 119.47 2c9b h ALA 59 Ca -0.40 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 2c9b h ALA 59 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2c9b h ALA 59 CO 0.64 0.37 -0.33 0.82 0.00 0.00 0.00 179.25 180.75 2c9b h ILE 60 N 0.00 0.94 0.00 0.00 2.04 -1.96 -2.89 117.51 115.63 2c9b h ILE 60 Ca -0.00 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2c9b h ILE 60 Cb 0.83 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2c9b h ILE 60 CO 0.04 0.33 0.00 -0.62 0.00 0.00 0.00 178.15 177.89 2c9b n GLU 61 N -3.72 0.13 0.10 2.37 4.71 -1.16 -4.22 120.64 118.85 2c9b n GLU 61 Ca -0.01 0.04 -0.13 0.00 -0.01 0.00 0.00 57.16 57.05 2c9b n GLU 61 Cb 0.43 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.28 2c9b n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c9b h ILE 62 N 0.00 0.91 -0.98 -3.67 2.04 -1.64 -3.23 117.51 110.94 2c9b h ILE 62 Ca 0.00 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.50 2c9b h ILE 62 Cb 0.38 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2c9b h ILE 62 CO 0.00 0.10 0.63 -0.65 0.00 0.00 0.00 178.15 178.23 2c9b h PRO 63 N -0.46 1.04 -0.14 2.37 0.11 -1.80 -0.36 132.00 132.77 2c9b h PRO 63 Ca -0.02 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 2c9b h PRO 63 Cb 0.35 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2c9b h PRO 63 CO 0.04 0.69 -0.39 -0.24 -0.21 0.00 0.00 178.00 177.89 2c9b h VAL 64 N 1.07 1.30 0.06 3.15 3.04 -1.84 -1.53 116.25 121.50 2c9b h VAL 64 Ca 0.45 -1.48 -0.24 0.00 -1.01 0.00 0.00 66.70 64.42 2c9b h VAL 64 Cb 0.30 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2c9b h VAL 64 CO -0.20 0.45 -1.06 0.58 -1.01 0.00 0.00 177.57 176.33 2c9b h VAL 65 N 0.25 1.50 -0.00 1.51 2.07 -1.43 -3.23 116.25 116.92 2c9b h VAL 65 Ca 0.03 -2.86 -0.10 0.00 0.82 0.00 0.00 66.70 64.59 2c9b h VAL 65 Cb 0.80 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2c9b h VAL 65 CO 0.06 0.83 -0.45 0.00 0.02 0.00 0.00 177.57 178.03 2c9b h ALA 66 N 0.76 1.25 -0.46 1.67 0.00 -0.89 -2.37 119.26 119.21 2c9b h ALA 66 Ca -0.09 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2c9b h ALA 66 Cb 1.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 2c9b h ALA 66 CO 0.17 0.57 -0.05 0.37 0.00 0.00 0.00 179.25 180.31 2c9b h GLN 67 N 0.01 0.80 -0.41 0.00 4.15 -1.31 -1.62 115.11 116.72 2c9b h GLN 67 Ca -0.00 -0.24 -0.13 0.00 0.77 0.00 0.00 58.65 59.05 2c9b h GLN 67 Cb 0.80 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2c9b h GLN 67 CO 0.06 0.83 -0.26 1.49 -1.93 0.00 0.00 178.83 179.03 2c9b h GLU 68 N 0.74 0.90 0.00 1.69 4.57 -1.49 -3.10 114.58 117.88 2c9b h GLU 68 Ca 0.14 -0.42 -0.08 0.00 -1.18 0.00 0.00 59.36 57.82 2c9b h GLU 68 Cb 0.51 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2c9b h GLU 68 CO 0.03 1.07 -0.37 -0.07 -1.18 0.00 0.00 179.01 178.48 2c9b h LEU 69 N 0.72 0.00 -1.55 1.64 3.38 -1.31 -3.20 115.31 115.00 2c9b h LEU 69 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2c9b h LEU 69 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2c9b h LEU 69 CO 0.07 0.37 -0.04 0.00 0.09 0.00 0.00 178.44 178.93 2c9b h ALA 70 N 1.63 1.63 -0.18 1.53 0.00 -1.21 -2.43 119.26 120.23 2c9b h ALA 70 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2c9b h ALA 70 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2c9b h ALA 70 CO 0.05 0.27 0.00 2.89 0.00 0.00 0.00 179.25 182.46 2c9b n ARG 71 N -4.36 1.85 0.00 0.00 1.85 -1.21 -3.55 116.66 111.25 2c9b n ARG 71 Ca -0.01 -0.83 0.00 0.00 -1.00 0.00 0.00 57.85 56.01 2c9b n ARG 71 Cb 0.20 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 2c9b n ARG 71 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2c9b n ASN 72 N 0.15 0.00 -4.22 2.89 4.05 -1.06 -5.14 115.26 111.93 2c9b n ASN 72 Ca 0.07 -0.68 -0.13 0.00 0.45 0.00 0.00 54.58 54.30 2c9b n ASN 72 Cb 0.38 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.29 2c9b n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2c9b s HIS 73 N 0.00 1.11 -0.14 1.20 3.76 -0.94 -4.98 115.29 115.30 2c9b s HIS 73 Ca 0.00 -0.83 0.20 0.00 -0.15 0.00 0.00 55.06 54.28 2c9b s HIS 73 Cb 0.00 -0.59 -0.17 0.00 1.11 0.00 0.00 32.58 32.93 2c9b s HIS 73 CO 0.00 -0.02 0.70 -0.25 -0.85 0.00 0.00 174.74 174.32 2c9b n ASP 74 N -0.14 0.49 -3.77 1.40 8.00 0.51 -4.81 116.55 118.23 2c9b n ASP 74 Ca -0.11 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 2c9b n ASP 74 Cb 0.61 0.94 -0.12 0.00 -0.02 0.00 0.00 41.12 42.52 2c9b n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c9b s ALA 75 N -3.22 -0.53 -0.05 2.24 0.00 -0.63 -4.30 121.76 115.26 2c9b s ALA 75 Ca -0.05 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.74 2c9b s ALA 75 Cb 0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 2c9b s ALA 75 CO 0.84 -0.14 -0.19 0.08 0.00 0.00 0.00 175.76 176.34 2c9b s VAL 76 N 0.64 1.62 -0.16 0.00 1.01 -1.11 -0.64 120.40 121.76 2c9b s VAL 76 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2c9b s VAL 76 Cb -0.06 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2c9b s VAL 76 CO -0.04 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.66 2c9b s VAL 77 N 0.06 2.44 -0.19 2.92 1.01 0.45 -0.72 120.40 126.37 2c9b s VAL 77 Ca -0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 2c9b s VAL 77 Cb -0.13 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2c9b s VAL 77 CO 0.03 0.52 0.12 0.00 0.00 0.00 0.00 175.10 175.78 2c9b s ALA 78 N 0.94 3.68 -0.02 5.51 0.00 -0.32 -0.62 121.76 130.94 2c9b s ALA 78 Ca -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2c9b s ALA 78 Cb -0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 2c9b s ALA 78 CO -0.03 0.22 -0.15 -0.51 0.00 0.00 0.00 175.76 175.29 2c9b s LEU 79 N 0.18 1.99 -0.05 0.00 1.43 0.06 -0.27 118.68 122.02 2c9b s LEU 79 Ca 0.08 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2c9b s LEU 79 Cb -0.11 -0.80 0.10 0.00 0.03 0.00 0.00 46.19 45.41 2c9b s LEU 79 CO -0.01 0.17 1.32 -0.83 0.23 0.00 0.00 176.35 177.24 2c9b s GLY 80 N -0.24 -0.19 -0.02 -3.19 0.00 -1.12 -1.75 107.32 100.80 2c9b s GLY 80 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.92 2c9b s GLY 80 CO -0.00 5.47 0.00 -1.34 0.00 0.00 0.00 173.10 177.23 2c9b s VAL 81 N -2.04 0.11 -0.21 1.40 -7.23 -1.26 -0.25 120.40 110.92 2c9b s VAL 81 Ca 0.29 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.52 2c9b s VAL 81 Cb 0.00 -0.18 0.05 0.00 0.56 0.00 0.00 36.38 36.82 2c9b s VAL 81 CO -0.02 0.10 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.14 2c9b s VAL 82 N 0.68 1.25 -0.11 1.32 1.01 -0.03 -4.91 120.40 119.61 2c9b s VAL 82 Ca -0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2c9b s VAL 82 Cb -0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2c9b s VAL 82 CO -0.01 -0.04 0.04 -0.63 0.00 0.00 0.00 175.10 174.45 2c9b s ILE 83 N 1.54 4.65 0.10 2.22 1.01 -1.26 -2.51 121.20 126.94 2c9b s ILE 83 Ca -0.03 -0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 2c9b s ILE 83 Cb -0.17 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.21 2c9b s ILE 83 CO -0.07 0.58 1.53 -0.60 0.00 0.00 0.00 174.94 176.38 2c9b s ARG 84 N -0.67 4.24 0.00 2.79 3.52 -1.01 -4.88 118.95 122.95 2c9b s ARG 84 Ca 0.11 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 2c9b s ARG 84 Cb -0.12 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 2c9b s ARG 84 CO 0.02 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 2c9b n GLY 85 N 3.76 2.09 0.97 8.12 0.00 -1.26 -4.90 105.19 113.96 2c9b n GLY 85 Ca 0.14 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.39 2c9b n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c9b n GLN 86 N 0.00 2.33 -4.39 1.61 6.02 -1.26 -4.92 117.38 116.77 2c9b n GLN 86 Ca 0.00 -1.94 -0.27 0.00 -0.01 0.00 0.00 57.00 54.78 2c9b n GLN 86 Cb 0.00 -1.46 -0.11 0.00 1.02 0.00 0.00 30.24 29.68 2c9b n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2c9b s THR 87 N -1.96 2.56 -1.92 5.09 -4.23 -1.26 -5.00 115.64 108.92 2c9b s THR 87 Ca 0.29 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2c9b s THR 87 Cb 0.20 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2c9b s THR 87 CO 0.30 -0.12 0.20 -0.81 -0.54 0.00 0.00 174.62 173.65 2c9b n PRO 88 N 0.20 0.21 0.20 3.99 -0.04 -1.26 -3.59 135.00 134.70 2c9b n PRO 88 Ca -0.12 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.52 2c9b n PRO 88 Cb 0.56 -1.01 0.82 0.00 -0.04 0.00 0.00 33.50 33.83 2c9b n PRO 88 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2c9b h HIS 89 N 0.06 0.00 -0.65 0.54 2.76 -1.96 -1.96 115.15 113.95 2c9b h HIS 89 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2c9b h HIS 89 Cb 0.01 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 2c9b h HIS 89 CO 0.00 0.00 0.41 0.35 -1.30 0.00 0.00 177.93 177.39 2c9b h PHE 90 N 0.00 0.84 -0.24 5.26 3.57 -1.90 -3.04 116.94 121.43 2c9b h PHE 90 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2c9b h PHE 90 Cb 0.58 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2c9b h PHE 90 CO 0.00 0.55 0.08 -0.44 -2.23 0.00 0.00 178.31 176.27 2c9b h ASP 91 N 0.88 0.09 1.47 0.41 3.32 -1.68 -2.99 116.42 117.94 2c9b h ASP 91 Ca 0.24 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2c9b h ASP 91 Cb -0.06 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2c9b h ASP 91 CO -0.05 0.09 -0.54 1.88 -1.72 0.00 0.00 179.24 178.90 2c9b h TYR 92 N 0.20 0.00 -0.24 4.55 0.05 -1.67 -0.90 116.97 118.95 2c9b h TYR 92 Ca 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 2c9b h TYR 92 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2c9b h TYR 92 CO -0.12 0.18 0.03 0.28 -1.05 0.00 0.00 178.16 177.48 2c9b h VAL 93 N 0.00 1.24 -0.52 -2.88 2.07 -1.55 -2.81 116.25 111.80 2c9b h VAL 93 Ca -0.02 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 2c9b h VAL 93 Cb 1.16 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2c9b h VAL 93 CO 0.02 0.25 -0.04 0.00 0.02 0.00 0.00 177.57 177.82 2c9b h ASP 95 N 0.80 0.80 -0.24 0.00 3.32 -1.18 -1.45 116.42 118.47 2c9b h ASP 95 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2c9b h ASP 95 Cb 0.58 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2c9b h ASP 95 CO 0.03 0.50 0.10 0.00 -1.72 0.00 0.00 179.24 178.15 2c9b h ALA 96 N 1.55 0.31 -0.79 3.45 0.00 -1.40 -2.54 119.26 119.84 2c9b h ALA 96 Ca 0.38 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2c9b h ALA 96 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2c9b h ALA 96 CO -0.14 -0.10 0.30 0.28 0.00 0.00 0.00 179.25 179.59 2c9b h VAL 97 N 0.24 1.26 0.68 0.00 2.07 -1.34 -1.58 116.25 117.59 2c9b h VAL 97 Ca 0.08 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2c9b h VAL 97 Cb 0.17 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2c9b h VAL 97 CO -0.01 0.34 -0.46 0.74 0.02 0.00 0.00 177.57 178.21 2c9b h THR 98 N 1.15 0.00 -0.55 2.57 2.02 -1.20 -2.28 112.91 114.62 2c9b h THR 98 Ca 0.26 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 2c9b h THR 98 Cb 0.24 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 2c9b h THR 98 CO -0.02 0.00 0.04 1.56 0.37 0.00 0.00 175.52 177.48 2c9b h GLN 99 N -1.08 0.90 0.53 6.66 4.20 -1.45 -2.76 115.11 122.10 2c9b h GLN 99 Ca -0.09 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 2c9b h GLN 99 Cb 0.88 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.55 2c9b h GLN 99 CO 0.07 0.87 -0.25 0.78 -0.67 0.00 0.00 178.83 179.62 2c9b h GLY 100 N 1.00 -0.74 1.79 3.46 0.00 -1.32 -2.32 103.07 104.94 2c9b h GLY 100 Ca 0.17 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 2c9b h GLY 100 CO 0.02 -0.27 -0.06 1.41 0.00 0.00 0.00 176.54 177.63 2c9b h LEU 101 N -0.92 0.25 -0.21 3.11 3.38 -1.44 -1.40 115.31 118.08 2c9b h LEU 101 Ca -0.07 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 2c9b h LEU 101 Cb 0.62 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2c9b h LEU 101 CO 0.12 0.35 -0.68 0.74 0.09 0.00 0.00 178.44 179.06 2c9b h THR 102 N 0.26 1.28 -0.30 0.22 2.02 -1.53 -2.63 112.91 112.23 2c9b h THR 102 Ca 0.06 -1.87 -0.18 0.00 0.77 0.00 0.00 66.41 65.19 2c9b h THR 102 Cb 0.29 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2c9b h THR 102 CO 0.01 0.60 -0.52 -0.09 0.37 0.00 0.00 175.52 175.89 2c9b h ARG 103 N 0.58 0.86 -0.70 6.66 2.43 -1.13 -3.15 114.38 119.93 2c9b h ARG 103 Ca -0.03 -0.53 0.02 0.00 -0.81 0.00 0.00 59.98 58.63 2c9b h ARG 103 Cb 1.30 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 2c9b h ARG 103 CO 0.14 1.16 0.45 0.28 -1.51 0.00 0.00 179.97 180.50 2c9b h VAL 104 N 0.67 1.15 -0.65 0.20 2.07 -1.31 -2.11 116.25 116.26 2c9b h VAL 104 Ca 0.02 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2c9b h VAL 104 Cb 1.12 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2c9b h VAL 104 CO 0.12 0.17 0.43 0.77 0.02 0.00 0.00 177.57 179.07 2c9b h SER 105 N 0.91 0.76 0.57 0.57 4.64 -1.45 -2.55 113.55 117.00 2c9b h SER 105 Ca 0.26 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 2c9b h SER 105 Cb -0.06 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 2c9b h SER 105 CO -0.07 0.56 -1.59 0.18 -0.87 0.00 0.00 176.83 175.03 2c9b n LEU 106 N -4.43 0.83 -0.15 5.97 4.77 -1.10 -1.72 117.00 121.17 2c9b n LEU 106 Ca 0.07 0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 2c9b n LEU 106 Cb 0.04 0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2c9b n LEU 106 CO 0.36 0.27 0.80 0.44 -1.33 0.00 0.00 177.39 177.94 2c9b h ASP 107 N 0.00 0.91 -0.01 -1.43 3.45 -1.31 -3.27 116.42 114.76 2c9b h ASP 107 Ca -0.23 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 56.96 2c9b h ASP 107 Cb 1.81 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 2c9b h ASP 107 CO 0.06 1.00 -0.66 -1.54 -1.57 0.00 0.00 179.24 176.53 2c9b n SER 108 N -4.17 1.56 -3.83 6.45 3.41 -0.97 -4.99 113.62 111.09 2c9b n SER 108 Ca 0.02 -1.28 -0.24 0.00 -0.26 0.00 0.00 58.87 57.11 2c9b n SER 108 Cb 0.36 0.69 0.01 0.00 -0.26 0.00 0.00 64.21 65.01 2c9b n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c9b n SER 109 N -0.62 -0.92 -3.87 4.04 7.64 -0.70 -4.99 113.62 114.19 2c9b n SER 109 Ca 0.07 -0.91 -0.16 0.00 1.01 0.00 0.00 58.87 58.88 2c9b n SER 109 Cb 0.39 -3.58 -0.15 0.00 -1.01 0.00 0.00 64.21 59.86 2c9b n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c9b s THR 110 N -3.78 0.24 0.04 0.44 2.01 -0.82 -5.05 115.64 108.72 2c9b s THR 110 Ca 0.04 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2c9b s THR 110 Cb -0.02 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.15 2c9b s THR 110 CO 0.85 0.12 1.43 -2.16 -0.69 0.00 0.00 174.62 174.17 2c9b s PRO 111 N 0.49 4.28 -0.24 4.92 0.04 -1.26 -4.45 135.00 138.79 2c9b s PRO 111 Ca -0.05 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 2c9b s PRO 111 Cb -0.08 -3.48 0.02 0.00 0.04 0.00 0.00 34.50 31.00 2c9b s PRO 111 CO -0.01 -0.55 -0.07 0.42 0.04 0.00 0.00 177.00 176.83 2c9b s ILE 112 N 2.04 2.94 0.02 0.56 -1.09 -1.26 -2.76 121.20 121.65 2c9b s ILE 112 Ca 0.65 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2c9b s ILE 112 Cb -0.34 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 2c9b s ILE 112 CO 0.28 0.28 0.94 0.00 -1.23 0.00 0.00 174.94 175.21 2c9b s ALA 113 N 1.36 3.21 -0.57 9.38 0.00 0.10 -4.97 121.76 130.27 2c9b s ALA 113 Ca 0.02 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 2c9b s ALA 113 Cb -0.16 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.78 2c9b s ALA 113 CO -0.05 -0.16 0.71 1.21 0.00 0.00 0.00 175.76 177.47 2c9b s ASN 114 N 0.73 6.19 -0.27 0.00 2.47 -1.26 -1.17 114.94 121.63 2c9b s ASN 114 Ca 0.49 -1.25 0.08 0.00 0.42 0.00 0.00 52.86 52.60 2c9b s ASN 114 Cb -0.21 -2.31 0.45 0.00 -1.45 0.00 0.00 41.25 37.73 2c9b s ASN 114 CO 0.27 -1.08 1.27 0.61 -3.72 0.00 0.00 177.10 174.45 2c9b n GLY 115 N 5.26 5.71 3.59 1.21 0.00 0.62 -4.88 105.19 116.70 2c9b n GLY 115 Ca -0.08 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 2c9b n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 116 N -3.91 5.21 0.27 1.61 1.01 -1.24 -2.78 120.40 120.57 2c9b s VAL 116 Ca 0.46 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2c9b s VAL 116 Cb 0.40 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 2c9b s VAL 116 CO -0.01 0.15 1.03 -0.76 0.00 0.00 0.00 175.10 175.52 2c9b s LEU 117 N 1.98 4.56 -0.29 3.92 1.43 0.65 -4.89 118.68 126.05 2c9b s LEU 117 Ca 0.13 2.13 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2c9b s LEU 117 Cb -0.16 -3.66 0.08 0.00 0.03 0.00 0.00 46.19 42.49 2c9b s LEU 117 CO 0.10 -0.05 0.01 0.42 0.23 0.00 0.00 176.35 177.07 2c9b s THR 118 N -1.20 1.60 0.21 5.49 -4.23 -1.26 -0.85 115.64 115.40 2c9b s THR 118 Ca 0.44 -1.61 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 2c9b s THR 118 Cb -0.29 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 2c9b s THR 118 CO 0.37 -0.39 -0.14 0.42 -0.54 0.00 0.00 174.62 174.33 2c9b s THR 119 N 1.30 1.75 -0.14 3.99 -4.23 -1.05 -5.04 115.64 112.22 2c9b s THR 119 Ca 0.03 -2.21 -0.25 0.00 -1.18 0.00 0.00 61.69 58.08 2c9b s THR 119 Cb -0.19 -2.08 -0.25 0.00 1.34 0.00 0.00 72.50 71.32 2c9b s THR 119 CO -0.11 -0.57 0.64 0.78 -0.54 0.00 0.00 174.62 174.81 2c9b h ASN 120 N 2.53 0.11 -1.62 3.99 2.35 -1.94 -2.67 115.58 118.33 2c9b h ASN 120 Ca -0.38 -0.87 -0.57 0.00 -0.55 0.00 0.00 56.30 53.93 2c9b h ASN 120 Cb 1.22 -0.04 -0.09 0.00 0.05 0.00 0.00 38.32 39.47 2c9b h ASN 120 CO 0.62 1.24 -0.51 0.42 -1.65 0.00 0.00 177.43 177.55 2c9b s THR 121 N -2.31 2.34 0.21 2.81 -4.23 -1.26 -3.95 115.64 109.25 2c9b s THR 121 Ca -0.21 -1.72 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 2c9b s THR 121 Cb 0.00 -2.99 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 2c9b s THR 121 CO 0.70 -0.02 1.49 -0.08 -0.54 0.00 0.00 174.62 176.17 2c9b h GLU 122 N 1.46 0.00 -0.07 3.99 4.81 -1.96 -3.22 114.58 119.59 2c9b h GLU 122 Ca -0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2c9b h GLU 122 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2c9b h GLU 122 CO 0.70 0.75 0.03 0.93 -0.73 0.00 0.00 179.01 180.69 2c9b h GLU 123 N 0.00 0.09 -0.68 1.92 5.08 -1.99 -2.46 114.58 116.54 2c9b h GLU 123 Ca -0.01 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2c9b h GLU 123 Cb 1.34 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 2c9b h GLU 123 CO 0.10 0.19 0.34 1.96 -1.00 0.00 0.00 179.01 180.59 2c9b h GLN 124 N -0.02 0.57 -0.66 2.33 4.20 -1.99 -0.65 115.11 118.89 2c9b h GLN 124 Ca 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2c9b h GLN 124 Cb 0.13 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2c9b h GLN 124 CO -0.00 0.38 0.36 0.00 -0.67 0.00 0.00 178.83 178.90 2c9b h ALA 125 N 1.40 1.39 -0.15 3.87 0.00 -1.55 -2.12 119.26 122.10 2c9b h ALA 125 Ca 0.33 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2c9b h ALA 125 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2c9b h ALA 125 CO -0.25 0.50 -0.50 -0.07 0.00 0.00 0.00 179.25 178.93 2c9b h LEU 126 N 0.93 0.44 -0.80 0.00 3.38 -0.86 -3.24 115.31 115.15 2c9b h LEU 126 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2c9b h LEU 126 Cb 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2c9b h LEU 126 CO -0.04 0.87 0.00 -0.78 0.09 0.00 0.00 178.44 178.58 2c9b h ASP 127 N 0.32 0.00 -0.19 -0.43 3.58 -0.48 -3.00 116.42 116.22 2c9b h ASP 127 Ca 0.01 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 2c9b h ASP 127 Cb 0.99 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.01 2c9b h ASP 127 CO 0.09 0.00 -0.08 0.54 -2.88 0.00 0.00 179.24 176.91 2c9b n ARG 128 N -2.88 2.05 0.00 0.28 1.74 -1.04 -1.14 116.66 115.68 2c9b n ARG 128 Ca 0.02 -2.92 0.06 0.00 -0.77 0.00 0.00 57.85 54.24 2c9b n ARG 128 Cb 0.37 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2c9b n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9b n ALA 129 N -0.99 3.22 -1.41 7.54 0.00 -1.13 -2.30 120.51 125.44 2c9b n ALA 129 Ca 0.23 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2c9b n ALA 129 Cb 0.85 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2c9b n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9b n GLY 130 N 1.12 0.57 3.84 0.00 0.00 -0.70 -4.04 105.19 105.99 2c9b n GLY 130 Ca 0.04 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2c9b n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9b s LEU 131 N 0.00 2.79 0.20 0.99 1.43 -1.26 -4.89 118.68 117.94 2c9b s LEU 131 Ca 0.00 1.26 0.04 0.00 -1.03 0.00 0.00 54.13 54.40 2c9b s LEU 131 Cb 0.00 -3.99 0.57 0.00 0.03 0.00 0.00 46.19 42.80 2c9b s LEU 131 CO 0.00 -1.62 0.98 -2.65 0.23 0.00 0.00 176.35 173.29 2c9b n PRO 132 N -3.20 -0.05 -1.76 1.29 -0.02 -1.26 -0.97 135.00 129.03 2c9b n PRO 132 Ca 0.07 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.32 2c9b n PRO 132 Cb 0.56 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2c9b n PRO 132 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2c9b n THR 133 N -4.71 2.31 -3.22 3.45 -2.24 -1.26 -5.06 114.28 103.55 2c9b n THR 133 Ca 0.17 -3.84 -0.30 0.00 -2.27 0.00 0.00 64.05 57.81 2c9b n THR 133 Cb 0.56 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 2c9b n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c9b s SER 134 N -3.50 6.56 0.22 3.42 0.01 -0.15 -4.99 113.70 115.27 2c9b s SER 134 Ca 0.46 0.94 0.06 0.00 1.31 0.00 0.00 55.95 58.73 2c9b s SER 134 Cb 0.39 -2.24 0.17 0.00 0.21 0.00 0.00 66.02 64.55 2c9b s SER 134 CO 0.01 -0.21 1.50 0.00 0.41 0.00 0.00 173.24 174.95 2c9b h ALA 135 N 1.91 0.75 -2.98 1.44 0.00 -1.46 -3.47 119.26 115.45 2c9b h ALA 135 Ca -0.47 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 53.73 2c9b h ALA 135 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2c9b h ALA 135 CO 0.66 0.85 0.17 -1.83 0.00 0.00 0.00 179.25 179.10 2c9b s GLU 136 N -3.45 2.15 -0.25 0.00 -1.05 -0.84 -5.05 118.70 110.22 2c9b s GLU 136 Ca -0.02 -1.50 -0.03 0.00 -0.15 0.00 0.00 54.97 53.27 2c9b s GLU 136 Cb 0.11 0.59 0.08 0.00 -0.44 0.00 0.00 34.13 34.47 2c9b s GLU 136 CO 0.80 -0.99 0.09 0.34 0.95 0.00 0.00 175.26 176.45 2c9b s ASP 137 N -3.10 3.24 0.27 0.83 -1.08 -1.26 -1.72 116.67 113.85 2c9b s ASP 137 Ca 0.19 -1.11 0.13 0.00 -0.52 0.00 0.00 52.55 51.24 2c9b s ASP 137 Cb -0.04 -0.50 0.26 0.00 -1.46 0.00 0.00 42.92 41.19 2c9b s ASP 137 CO 0.13 -0.38 1.54 0.11 0.52 0.00 0.00 175.17 177.09 2c9b h LYS 138 N 8.30 0.00 -0.36 4.34 1.79 -1.78 -2.92 116.57 125.95 2c9b h LYS 138 Ca -0.17 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 2c9b h LYS 138 Cb 1.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 2c9b h LYS 138 CO 0.39 0.62 -0.07 0.78 -1.08 0.00 0.00 179.45 180.09 2c9b h GLY 139 N 2.47 0.64 1.01 3.86 0.00 -1.82 -0.17 103.07 109.07 2c9b h GLY 139 Ca -0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 2c9b h GLY 139 CO 0.08 0.40 -0.59 0.00 0.00 0.00 0.00 176.54 176.44 2c9b h ALA 140 N 1.37 0.27 -0.43 3.60 0.00 -1.74 -3.16 119.26 119.16 2c9b h ALA 140 Ca 0.11 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2c9b h ALA 140 Cb 0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2c9b h ALA 140 CO 0.02 0.51 0.24 1.96 0.00 0.00 0.00 179.25 181.98 2c9b h GLN 141 N 0.33 0.46 -0.32 0.00 4.20 -1.29 -2.57 115.11 115.93 2c9b h GLN 141 Ca -0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 2c9b h GLN 141 Cb 1.22 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 2c9b h GLN 141 CO 0.12 0.31 0.01 0.00 -0.67 0.00 0.00 178.83 178.60 2c9b h ALA 142 N 1.21 1.44 -0.02 3.87 0.00 -1.11 -1.80 119.26 122.85 2c9b h ALA 142 Ca 0.18 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2c9b h ALA 142 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2c9b h ALA 142 CO -0.10 0.40 -0.78 1.15 0.00 0.00 0.00 179.25 179.92 2c9b h THR 143 N 0.47 1.48 -0.25 0.00 2.02 -1.47 -2.35 112.91 112.80 2c9b h THR 143 Ca 0.10 -2.44 -0.13 0.00 0.77 0.00 0.00 66.41 64.72 2c9b h THR 143 Cb 0.28 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 2c9b h THR 143 CO 0.01 0.71 -0.37 0.58 0.37 0.00 0.00 175.52 176.82 2c9b h VAL 144 N 0.10 1.29 -0.71 3.16 2.07 -1.13 -2.58 116.25 118.45 2c9b h VAL 144 Ca -0.03 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 65.93 2c9b h VAL 144 Cb 1.36 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 2c9b h VAL 144 CO 0.11 0.48 0.24 0.00 0.02 0.00 0.00 177.57 178.43 2c9b h ALA 145 N 1.13 0.93 -0.01 1.67 0.00 -1.13 -2.67 119.26 119.18 2c9b h ALA 145 Ca 0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2c9b h ALA 145 Cb 0.86 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2c9b h ALA 145 CO 0.07 0.59 -0.60 0.00 0.00 0.00 0.00 179.25 179.31 2c9b h ALA 146 N 1.11 0.09 -0.48 0.00 0.00 -1.36 -2.93 119.26 115.71 2c9b h ALA 146 Ca 0.23 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2c9b h ALA 146 Cb 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2c9b h ALA 146 CO -0.01 0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 179.52 2c9b h LEU 147 N -0.06 0.83 -0.85 0.00 3.38 -1.53 -2.07 115.31 115.01 2c9b h LEU 147 Ca -0.07 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 2c9b h LEU 147 Cb 1.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2c9b h LEU 147 CO 0.12 0.94 -0.09 0.00 0.09 0.00 0.00 178.44 179.50 2c9b h ALA 148 N 0.92 1.04 0.00 1.53 0.00 -1.58 -1.97 119.26 119.20 2c9b h ALA 148 Ca 0.13 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2c9b h ALA 148 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2c9b h ALA 148 CO 0.03 0.59 -0.48 1.15 0.00 0.00 0.00 179.25 180.53 2c9b h THR 149 N 0.69 0.99 -0.24 0.00 2.02 -1.47 -2.51 112.91 112.39 2c9b h THR 149 Ca 0.12 -1.91 -0.16 0.00 0.77 0.00 0.00 66.41 65.23 2c9b h THR 149 Cb 0.55 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2c9b h THR 149 CO 0.03 0.47 -0.52 0.00 0.37 0.00 0.00 175.52 175.88 2c9b h ALA 150 N 1.52 0.64 -0.16 6.16 0.00 -1.06 -2.72 119.26 123.64 2c9b h ALA 150 Ca -0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 2c9b h ALA 150 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2c9b h ALA 150 CO 0.06 0.68 -0.47 -0.07 0.00 0.00 0.00 179.25 179.46 2c9b h LEU 151 N 0.54 0.44 -0.27 0.00 3.38 -1.26 -2.88 115.31 115.26 2c9b h LEU 151 Ca 0.02 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2c9b h LEU 151 Cb 1.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2c9b h LEU 151 CO 0.11 0.85 -0.09 0.74 0.09 0.00 0.00 178.44 180.13 2c9b h THR 152 N 0.33 1.29 -0.25 0.22 2.02 -1.45 -2.82 112.91 112.25 2c9b h THR 152 Ca 0.02 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 2c9b h THR 152 Cb 0.95 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2c9b h THR 152 CO 0.08 0.36 -0.02 -0.07 0.37 0.00 0.00 175.52 176.24 2c9b h LEU 153 N 0.27 0.35 -0.55 2.58 3.38 -1.49 -1.66 115.31 118.20 2c9b h LEU 153 Ca 0.06 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2c9b h LEU 153 Cb 0.58 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2c9b h LEU 153 CO 0.03 0.42 0.11 0.03 0.09 0.00 0.00 178.44 179.12 2c9b h ARG 154 N 0.36 0.90 -0.37 1.13 3.08 -1.42 0.38 114.38 118.44 2c9b h ARG 154 Ca 0.08 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2c9b h ARG 154 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2c9b h ARG 154 CO 0.01 0.86 0.03 1.49 -1.07 0.00 0.00 179.97 181.28 2c9b h GLU 155 N 0.79 0.64 -0.76 0.04 4.57 -1.20 -3.12 114.58 115.54 2c9b h GLU 155 Ca 0.17 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2c9b h GLU 155 Cb 0.38 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 2c9b h GLU 155 CO 0.01 0.73 0.26 -0.07 -1.18 0.00 0.00 179.01 178.76 2c9b h LEU 156 N 0.46 1.08-10.66 1.64 3.38 -1.25 -3.45 115.31 106.52 2c9b h LEU 156 Ca 0.11 -0.20 -0.43 0.00 0.09 0.00 0.00 57.88 57.45 2c9b h LEU 156 Cb 0.42 -0.28 0.18 0.00 0.09 0.00 0.00 40.66 41.07 2c9b h LEU 156 CO 0.01 0.99 0.30 -0.13 0.09 0.00 0.00 178.44 179.70 2c9b s ARG 157 N -5.46 -0.24 -0.09 1.13 0.52 0.12 -4.97 118.95 109.95 2c9b s ARG 157 Ca -0.12 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 2c9b s ARG 157 Cb 0.15 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.87 2c9b s ARG 157 CO 0.84 -3.02 1.12 0.00 0.02 0.00 0.00 175.30 174.26 2c9b s ALA 158 N -3.54 3.48 0.07 2.13 0.00 -1.26 -4.95 121.76 117.69 2c9b s ALA 158 Ca 0.73 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.04 2c9b s ALA 158 Cb -0.06 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.60 2c9b s ALA 158 CO 0.54 -0.73 0.34 -3.38 0.00 0.00 0.00 175.76 172.53 2c9b s HIS 159 N 2.24 -0.14 -2.00 0.00 -3.43 -1.26 -5.11 115.29 105.58 2c9b s HIS 159 Ca 0.52 -0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.75 2c9b s HIS 159 Cb -0.22 0.15 0.10 0.00 -1.43 0.00 0.00 32.58 31.19 2c9b s HIS 159 CO 0.19 -0.58 0.59 0.43 -2.00 0.00 0.00 174.74 173.38